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Crystal structure of 2-oxo-1,2-di-phenyl-ethyl diiso-propyl-carbamate.

ABSTRACT: The title compound, C₂₁H₂₅NO₃, crystallized as a racemic twin in the Sohnke space group P2₁. In the mol-ecular structure of the title compound, both enanti-omers show a highly similar conformation with the urethane function and the benzoyl group showing an almost perpendicular arrangement [the dihedral angle is 72.46 (8)° in the S-enanti-omer and 76.21 (8)° in the R-enanti-omer]. In the crystal structure, mol-ecules of both enanti-omers show infinite helical arrangements parallel to the b axis formed by weak C-H⋯O hydrogen bonds between the phenyl ring of the benzoyl group and the carbamate carbonyl group. In case of the R-enanti-omer, this helix is additionally stabilized by a bifurcated hydrogen bond between the carbonyl function of the benzoyl group towards both phenyl groups of the mol-ecule.

SUBMITTER: Martens V

PROVIDER: S-EPMC8587984 | biostudies-literature | 2021 Nov

REPOSITORIES: biostudies-literature

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Crystal structure of 2-oxo-1,2-di-phenyl-ethyl diiso-propyl-carbamate.

Martens Viktor V Görls Helmar H Imhof Wolfgang W

Acta crystallographica. Section E, Crystallographic communications 20211013 Pt 11

The title compound, C21H25NO3, crystallized as a racemic twin in the Sohnke space group P21. In the mol-ecular structure of the title compound, both enanti-omers show a highly similar conformation with the urethane function and the benzoyl group showing an almost perpendicular arrangement [the dihedral angle is 72.46 (8)° in the S-enanti-omer and 76.21 (8)° in the R-enanti-omer]. In the crystal structure, mol-ecules of both enanti- ...[more]

PMID: 34868642

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